SCHEMBL29784337

SCHEMBL29784337

COC(=O)c1cc(Cl)cc2cc(CNC(=O)OC(C)(C)C)oc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 5/20 0.43
ATR Q13535 1/20 0.40
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.35
KCNA5 P22460 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
SERPINH1 P50454 1/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27185593 1.00 STING1 (0.43) STING1ATRKDM4AALDH1A1GAA
SCHEMBL29784277 0.90 STING1 (0.50) STING1KDM4AALDH1A1GAAKCNA5
SCHEMBL27185530 0.90 STING1 (0.50) STING1KDM4AALDH1A1GAAKCNA5
SCHEMBL29784379 0.87 STING1 (0.46) STING1KDM4AALDH1A1GAAKCNA5
SCHEMBL27185404 0.87 STING1 (0.46) STING1KDM4AALDH1A1GAAKCNA5
SCHEMBL29784263 0.87 STING1 (0.42) STING1ATRKDM4AALDH1A1GAA
SCHEMBL29784510 0.87 ALDH1A1 (0.40) STING1ATRKDM4AALDH1A1GAA
SCHEMBL27185785 0.87 ALDH1A1 (0.40) STING1ATRKDM4AALDH1A1GAA
SCHEMBL29784449 0.87 ESR2 (0.40) STING1ATRKDM4AALDH1A1GAA
SCHEMBL27185758 0.87 ESR2 (0.40) STING1ATRKDM4AALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 WO disclosed